PUBCHEM-ZINC00597898 MOE2007 3D CORINA 3.40 0006 02.08.2006 46 47 0 0 0 0 0 0 0 0999 V2000 -0.0180 1.5030 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0230 -0.6950 1.1930 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0420 -2.0840 1.2020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0400 -2.7970 -0.0060 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0180 -2.0980 -1.2240 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0060 -0.6930 -1.2150 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0340 0.0530 -2.4850 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0060 0.3750 -3.0240 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2140 0.3780 -3.0490 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1660 1.1140 -4.3000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3940 0.7660 -5.1440 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1560 2.6160 -4.0090 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0160 -2.8350 -2.5070 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1920 -3.2010 -3.1030 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1870 -3.8880 -4.2990 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0120 -4.2160 -4.9080 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2130 -3.8560 -4.3220 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2220 -3.1620 -3.1290 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5070 -2.7730 -2.5070 N 0 3 0 0 0 0 0 0 0 0 0 0 3.5580 -3.0590 -3.0510 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5130 -2.1660 -1.4510 O 0 5 0 0 0 0 0 0 0 0 0 0 0.0610 -4.2690 0.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9820 -4.8920 0.0170 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2380 -4.9260 -0.0040 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1830 -6.3770 0.0050 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0620 -2.7520 2.3810 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.8800 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8640 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8540 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0250 -0.1520 2.1260 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2620 0.8430 -4.8460 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2980 1.0370 -4.5980 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3580 1.3180 -6.0830 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4020 -0.3040 -5.3510 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2800 2.8630 -3.4080 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1200 3.1680 -4.9480 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0600 2.8860 -3.4630 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1280 -2.9470 -2.6290 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1210 -4.1720 -4.7610 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0110 -4.7540 -5.8440 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1450 -4.1140 -4.8020 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6470 -6.7260 -0.8780 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1960 -6.7790 -0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6640 -6.7150 0.9020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8150 -2.9580 2.7320 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 2 3 2 0 0 0 0 2 7 1 0 0 0 0 3 4 1 0 0 0 0 3 31 1 0 0 0 0 4 5 2 0 0 0 0 4 27 1 0 0 0 0 5 6 1 0 0 0 0 5 23 1 0 0 0 0 6 7 2 0 0 0 0 6 14 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 32 1 0 0 0 0 12 33 1 0 0 0 0 12 34 1 0 0 0 0 12 35 1 0 0 0 0 13 36 1 0 0 0 0 13 37 1 0 0 0 0 13 38 1 0 0 0 0 14 15 1 0 0 0 0 14 19 2 0 0 0 0 15 16 2 0 0 0 0 15 39 1 0 0 0 0 16 17 1 0 0 0 0 16 40 1 0 0 0 0 17 18 2 0 0 0 0 17 41 1 0 0 0 0 18 19 1 0 0 0 0 18 42 1 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 25 26 1 0 0 0 0 26 43 1 0 0 0 0 26 44 1 0 0 0 0 26 45 1 0 0 0 0 27 46 1 0 0 0 0 M CHG 1 20 1 M CHG 1 22 -1 M END